BDBM50048061 CHEMBL3314874

SMILES COc1ccc(CNc2ncc(C(=O)NCCc3ccccc3)c3nc(nn23)-c2ccco2)cc1OC

InChI Key InChIKey=AISRPRRMNYPGJX-UHFFFAOYSA-N

Data  4 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50048061   

TargetAdenosine receptor A2a(Homo sapiens (Human))
Universit£ di Trieste

Curated by ChEMBL
LigandPNGBDBM50048061(CHEMBL3314874)
Show SMILES COc1ccc(CNc2ncc(C(=O)NCCc3ccccc3)c3nc(nn23)-c2ccco2)cc1OC
Show InChI InChI=1S/C27H26N6O4/c1-35-21-11-10-19(15-23(21)36-2)16-29-27-30-17-20(26(34)28-13-12-18-7-4-3-5-8-18)25-31-24(32-33(25)27)22-9-6-14-37-22/h3-11,14-15,17H,12-13,16H2,1-2H3,(H,28,34)(H,29,30)
Affinity DataKi:  65nMAssay Description:Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAdenosine receptor A3(Homo sapiens (Human))
Universit£ di Trieste

Curated by ChEMBL
LigandPNGBDBM50048061(CHEMBL3314874)
Show SMILES COc1ccc(CNc2ncc(C(=O)NCCc3ccccc3)c3nc(nn23)-c2ccco2)cc1OC
Show InChI InChI=1S/C27H26N6O4/c1-35-21-11-10-19(15-23(21)36-2)16-29-27-30-17-20(26(34)28-13-12-18-7-4-3-5-8-18)25-31-24(32-33(25)27)22-9-6-14-37-22/h3-11,14-15,17H,12-13,16H2,1-2H3,(H,28,34)(H,29,30)
Affinity DataKi:  88nMAssay Description:Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(Homo sapiens (Human))
Universit£ di Trieste

Curated by ChEMBL
LigandPNGBDBM50048061(CHEMBL3314874)
Show SMILES COc1ccc(CNc2ncc(C(=O)NCCc3ccccc3)c3nc(nn23)-c2ccco2)cc1OC
Show InChI InChI=1S/C27H26N6O4/c1-35-21-11-10-19(15-23(21)36-2)16-29-27-30-17-20(26(34)28-13-12-18-7-4-3-5-8-18)25-31-24(32-33(25)27)22-9-6-14-37-22/h3-11,14-15,17H,12-13,16H2,1-2H3,(H,28,34)(H,29,30)
Affinity DataKi:  385nMAssay Description:Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAdenosine receptor A2b(Homo sapiens (Human))
Universit£ di Trieste

Curated by ChEMBL
LigandPNGBDBM50048061(CHEMBL3314874)
Show SMILES COc1ccc(CNc2ncc(C(=O)NCCc3ccccc3)c3nc(nn23)-c2ccco2)cc1OC
Show InChI InChI=1S/C27H26N6O4/c1-35-21-11-10-19(15-23(21)36-2)16-29-27-30-17-20(26(34)28-13-12-18-7-4-3-5-8-18)25-31-24(32-33(25)27)22-9-6-14-37-22/h3-11,14-15,17H,12-13,16H2,1-2H3,(H,28,34)(H,29,30)
Affinity DataKi: >3.00E+4nMAssay Description:Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activityMore data for this Ligand-Target Pair